2,2-di(heptan-4-yl)-3-sulfo-butanedioic acid

Systemtic Name: 2,2-di(heptan-4-yl)-3-sulfo-butanedioic acid Openeye Name: 2,2-bis(1-propylbutyl)-3-sulfo-butanedioic acid CAS Name: 2,2-di(heptan-4-yl)-3-sulfobutanedioic acid IUPAC Name: 2,2-di(heptan-4-yl)-3-sulfobutanedioic acid Traditional Name: 2,2-bis(1-propylbutyl)-3-sulfo-succinic acid Formula: C18H34O7S MolecularWeight: 394.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(C(CCC)CCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCC(CCC)C(C(CCC)CCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C18H34O7S/c1-5-9-13(10-6-2)18(17(21)22,14(11-7-3)12-8-4)15(16(19)20)26(23,24)25/h13-15H,5-12H2,1-4H3,(H,19,20)(H,21,22)(H,23,24,25)